SCHEMBL9683066

SCHEMBL9683066

COc1cc(OC)nc(Nc2cccc(Cl)c2C(=O)OCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
FTO Q9C0B1 1/20 0.41
PTK2 Q05397 1/20 0.41
KMT2A Q03164 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
TXNRD1 Q16881 1/20 0.39
FABP4 P15090 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
VSIR Q9H7M9 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9682499 0.83 PBRM1 (0.51) FABP4
SCHEMBL9622229 0.80 NPSR1 (0.56) ALDH1A1GAA
SCHEMBL9683847 0.75 MAPT (0.41) PTK2MAPTTP53GLAGAA
SCHEMBL20830632 0.74 KMT2A (0.52) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL9182036 0.74 POLB (0.53) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL8406394 0.74 TDP1 (0.51) DHODHKMT2ACASP3SENP8SENP7
SCHEMBL9683663 0.73 MAPT (0.42) KMT2AMAPTHTTMEN1RAB9A
SCHEMBL9193808 0.73 ALDH1A1 (0.52) ALDH1A1GAA
SCHEMBL29108575 0.72 TDP1 (0.49) DHODHKMT2ACASP3SENP8SENP7
SCHEMBL9682835 0.71 KMT2A (0.43) DHODHKMT2ACASP3SENP8SENP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149357-A Herbicidal substituted benzoylsulfonamides FMC CORPORATION (US) 1992-09-22 US disclosed